Compound Identification
SMILES
O=C(CNC1=CN=C2C=CC=CN2C1=O)N1CCN(CC1)C(=O)C1=CC=C(C=C1)C#N
InChIKey
InChIKey=NDAQUAWADFBGHY-UHFFFAOYSA-N
Formula
C22H20N6O3
Mass
416.441
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
-
Level 5
Amino acids and derivatives
-
Level 6
Alpha amino acids and derivatives
- Level 7 Alpha amino acid amides
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Level 6
Alpha amino acids and derivatives
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Level 5
Amino acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
-
Class
Carboxylic acids and derivatives
-
Superclass
Organic acids and derivatives
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Subclass
Amino acids, peptides, and analogues
Intermediate Tree Nodes
Amino acids and derivatives - Alpha amino acids and derivatives
Direct Parent
Alpha amino acid amides
Alternative Parents
Pyridopyrimidines Benzamides Benzonitriles Benzoyl derivatives Aminopyrimidines and derivatives Pyrimidones Secondary alkylarylamines Pyridines and derivatives Piperazines Heteroaromatic compounds Tertiary carboxylic acid amides Tertiary amines Lactams Nitriles Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid amide - Pyridopyrimidine - Benzamide - Benzoic acid or derivatives - Benzonitrile - Benzoyl - Aminopyrimidine - Pyrimidone - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Pyridine - Pyrimidine - Benzenoid - Tertiary carboxylic acid amide - Heteroaromatic compound - Tertiary amine - Lactam - Carboxamide group - Azacycle - Secondary amine - Organoheterocyclic compound - Nitrile - Carbonitrile - Organic oxygen compound - Carbonyl group - Amine - Hydrocarbon derivative - Organic oxide - Cyanide - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as alpha amino acid amides. These are amide derivatives of alpha amino acids.
External Descriptors
Not available